(2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid

C11H20N2O4 — CID 107564991

IUPAC(2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)COC1(C)CNC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-8(10(15)16)13-9(14)5-17-11(2)6-12-7-11/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyPIEBMXKKQSZGDH-MRVPVSSYSA-N
MW244.29 g/mol
LogP-0.27
Rot. Bonds7

About (2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid

(2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid (PubChem CID 107564991) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid
PubChem CID107564991
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)COC1(C)CNC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-4-8(10(15)16)13-9(14)5-17-11(2)6-12-7-11/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyPIEBMXKKQSZGDH-MRVPVSSYSA-N
XLogP-0.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]butanedioic acid
CID 102656442
5-methoxy-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-5-oxopentanoic acid
CID 102656504
N-(1-hydroxypentan-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656606
2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid
CID 102656029
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
CID 107564514
2-(3-methylazetidin-3-yl)oxy-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 102611643
N-(2-hydroxybutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656602
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid (CID 107564991) is (2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid is CCC[C@@H](NC(=O)COC1(C)CNC1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid?
The InChIKey is PIEBMXKKQSZGDH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-4-8(10(15)16)13-9(14)5-17-11(2)6-12-7-11/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid?
(2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid is sourced from PubChem (CID 107564991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).